Logs

.github/workflows/python-package.yml

@@ -16,7 +16,7 @@ jobs:
     strategy:
       fail-fast: false
       matrix:
-        python-version: ["3.9", "3.10", "3.11"]
+        python-version: ["3.10", "3.11", "3.12"]
 
     steps:
     - uses: actions/checkout@v4

.gitignore

@@ -0,0 +1,216 @@
+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[codz]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#   Usually these files are written by a python script from a template
+#   before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py.cover
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+# Pipfile.lock
+
+# UV
+#   Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+# uv.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+# poetry.lock
+# poetry.toml
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#   pdm recommends including project-wide configuration in pdm.toml, but excluding .pdm-python.
+#   https://pdm-project.org/en/latest/usage/project/#working-with-version-control
+# pdm.lock
+# pdm.toml
+.pdm-python
+.pdm-build/
+
+# pixi
+#   Similar to Pipfile.lock, it is generally recommended to include pixi.lock in version control.
+# pixi.lock
+#   Pixi creates a virtual environment in the .pixi directory, just like venv module creates one
+#   in the .venv directory. It is recommended not to include this directory in version control.
+.pixi
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule
+celerybeat.pid
+
+# Redis
+*.rdb
+*.aof
+*.pid
+
+# RabbitMQ
+mnesia/
+rabbitmq/
+rabbitmq-data/
+
+# ActiveMQ
+activemq-data/
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.envrc
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#   JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#   be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#   and can be added to the global gitignore or merged into this file.  For a more nuclear
+#   option (not recommended) you can uncomment the following to ignore the entire idea folder.
+# .idea/
+
+# Abstra
+#   Abstra is an AI-powered process automation framework.
+#   Ignore directories containing user credentials, local state, and settings.
+#   Learn more at https://abstra.io/docs
+.abstra/
+
+# Visual Studio Code
+#   Visual Studio Code specific template is maintained in a separate VisualStudioCode.gitignore 
+#   that can be found at https://github.com/github/gitignore/blob/main/Global/VisualStudioCode.gitignore
+#   and can be added to the global gitignore or merged into this file. However, if you prefer, 
+#   you could uncomment the following to ignore the entire vscode folder
+# .vscode/
+
+# Ruff stuff:
+.ruff_cache/
+
+# PyPI configuration file
+.pypirc
+
+# Marimo
+marimo/_static/
+marimo/_lsp/
+__marimo__/
+
+# Streamlit
+.streamlit/secrets.toml

pyproject.toml

@@ -1,15 +1,17 @@
 [tool.poetry]
 name = "pythonQEPest"
-version = "1.1.0"
+version = "1.1.1"
 description = ""
 authors = ["Lina <knocker767@gmail.com>"]
 readme = "README.md"
 packages = [
     { include = "pythonQEPest" }
 ]
+
 [tool.poetry.dependencies]
-python = ">=3.9,<3.13"
+python = ">=3.10,<3.13"
 pydantic = "2.12.5"
+python-dotenv = "^1.2.1"
 
 [tool.poetry.group.dev.dependencies]
 pytest = "^8.4.2"

pythonQEPest/.env.example

@@ -0,0 +1,4 @@
+LOG_LEVEL = "INFO"
+LOG_FILE_LOCATION = "logs/app.log"
+
+APP_DEBUG_ENABLE = "false"

pythonQEPest/cli/cli.py

@@ -1,6 +1,10 @@
 from pythonQEPest.core.qepest_meta import QEPestMeta
 from pythonQEPest.helpers.get_num_of_cols import get_num_of_cols
 from pythonQEPest.helpers.get_values_from_line import get_values_from_line
+import logging
+
+
+logger = logging.getLogger(__name__)
 
 
 class CLI:
@@ -19,7 +23,7 @@ def read_file_and_compute_params(self):
                     if index == 0:
                         if get_num_of_cols(line) != self.qepest.col_number:
                             er = f"Error: Line {index} does not have seven elements."
-                            print(er)
+                            logger.error(er)
                             self.qepest.noError = False
                             break
                         wr.write("Name QEH QEI QEF\n")
@@ -30,18 +34,17 @@ def read_file_and_compute_params(self):
                             splitted_line = line.split('\t')[0]
                             wr.write(
                                 f"{splitted_line} {self.qepest.qex.qe_h} {self.qepest.qex.qe_i} {self.qepest.qex.qe_f}{chr(10)}"
-                                # chr(10) = \n
                             )
                         else:
                             er = f"Error: Line {index} does not have seven elements."
-                            print(er)
+                            logger.error(er)
                             self.qepest.noError = False
                 if self.qepest.noError:
-                    print("Computation completed")
+                    logger.info("Computation completed")
                 else:
-                    print("Finished with errors")
+                    logger.warning("Finished with errors")
 
         except FileNotFoundError as e:
             self.qepest.noError = False
-            print(f"Error: can't find : {input}")
-            print(e)
+            logger.error("Error: can't find : %s", input)
+            logger.exception(e)

pythonQEPest/core/__init__.py

@@ -0,0 +1,7 @@
+from .qepest_meta import QEPestMeta
+from .qepest import QEPest
+
+__all__ = [
+    "QEPestMeta",
+    "QEPest",
+]